N-[[5-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)ethanamide

Systemtic Name: N-[[5-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[[5-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide CAS Name: N-[[5-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[[5-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2CCCCC2)CNC(=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2CCCCC2)CNC(=O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H29N5O3S/c1-26-18(13-22-19(27)12-15-8-10-17(29-2)11-9-15)24-25-21(26)30-14-20(28)23-16-6-4-3-5-7-16/h8-11,16H,3-7,12-14H2,1-2H3,(H,22,27)(H,23,28)